[[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-oxidanyl-phosphono-methyl]phosphonic acid

Systemtic Name: [[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-oxidanyl-phosphono-methyl]phosphonic acid Openeye Name: [hydroxy-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]methylamino]-phosphono-methyl]phosphonic acid CAS Name: [hydroxy-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridinyl]methylamino]-phosphonomethyl]phosphonic acid IUPAC Name: [hydroxy-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-phosphonomethyl]phosphonic acid Traditional Name: [hydroxy-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]methylamino]-phosphono-methyl]phosphonic acid Formula: C9H17N2O12P3 MolecularWeight: 438.158763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1O)CNC(O)(P(=O)(O)O)P(=O)(O)O)COP(=O)(O)O

Isomeric SMILES

CC1=NC=C(C(=C1O)CNC(O)(P(=O)(O)O)P(=O)(O)O)COP(=O)(O)O

InChI

InChI=1S/C9H17N2O12P3/c1-5-8(12)7(6(2-10-5)4-23-26(20,21)22)3-11-9(13,24(14,15)16)25(17,18)19/h2,11-13H,3-4H2,1H3,(H2,14,15,16)(H2,17,18,19)(H2,20,21,22)